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About This Item
Linear Formula:
(C6H5)2CHCN
CAS Number:
Molecular Weight:
193.24
Beilstein:
1911160
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
98%
form
solid
bp
181 °C/12 mmHg (lit.)
mp
71-73 °C (lit.)
SMILES string
N#CC(c1ccccc1)c2ccccc2
InChI
1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChI key
NEBPTMCRLHKPOB-UHFFFAOYSA-N
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General description
Diphenylacetonitrile can be prepared in good yield by the dehydration of the amide of diphenyl acetic acid with phosphorous oxychloride.
Application
Diphenylacetonitrile undergoes anhydrous condensation with ethyl-4-bromo-butyrate. This is followed by its hydrolysis in alkaline medium that is used in the quantitative determination of 3-cyano-3,3-diphenylpropionic acid.
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 2
Storage Class Code
11 - Combustible Solids
WGK
WGK 2
Flash Point(F)
245.5 °F - Pensky-Martens closed cup
Flash Point(C)
118.6 °C - Pensky-Martens closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Preparation of diphenylacetonitrile.
W B REID et al.
Journal of the American Chemical Society, 70(10), 3515-3515 (1948-10-01)
S M De Baere et al.
Journal of analytical toxicology, 20(3), 159-164 (1996-05-01)
A sensitive gas chromatographic procedure with nitrogen-phosphorus detection was developed for the quantitative determination of 3-cyano-3,3-diphenylpropionic acid, the acidic metabolite of the narcotic analgesic bezitramide (Burgodin). Gas chromatography with mass spectrometric detection was used for confirmation. An internal standard, 5-cyano-5,5-diphenylvaleric
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